2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline

C11H10ClN7 — CID 82787185

IUPAC2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
SMILESCn1ccc(-n2nnnc2-c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C11H10ClN7/c1-18-5-4-10(15-18)19-11(14-16-17-19)7-2-3-9(13)8(12)6-7/h2-6H,13H2,1H3
InChIKeyREPPIGIHGSBBJC-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.30
Rot. Bonds2

About 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline

2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline (PubChem CID 82787185) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
PubChem CID82787185
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
SMILESCn1ccc(-n2nnnc2-c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C11H10ClN7/c1-18-5-4-10(15-18)19-11(14-16-17-19)7-2-3-9(13)8(12)6-7/h2-6H,13H2,1H3
InChIKeyREPPIGIHGSBBJC-UHFFFAOYSA-N
XLogP1.30
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-(1H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-3-amine
CID 2806140
2-N-[2-chloro-4-(1-methyltetrazol-5-yl)phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 71460830
(7R)-7-(3,4-dichlorophenyl)-5-methyl-6-[2-(4-methylphenyl)-1,2,4-triazol-3-yl]-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136259949
N2-(2-chloro-4-(2-methyl-2H-tetrazol-5-yl)phenyl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 71576984
4-[4-(3-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazol-5-amine
CID 1472733
1-(4-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490715
US10155727, Example 101
CID 118864421
N-(4-((1H-Pyrazol-1-yl)methyl)phenyl)-2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 90110601
1-(4-Chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
CID 2825884
5-[1-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046811
5-[1-(3-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046841
1-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-1H-tetrazole
CID 4773885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline (CID 82787185) is 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline is Cn1ccc(-n2nnnc2-c2ccc(N)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
The InChIKey is REPPIGIHGSBBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7/c1-18-5-4-10(15-18)19-11(14-16-17-19)7-2-3-9(13)8(12)6-7/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline?
2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline has a molecular weight of 275.70 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82787185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).